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CS-W001157 4
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4-Propan-2-ylbenzenethiol

  • CAS No. 4946-14-9

  • Cat. No. CS-0037685
  • Purity≥95%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

4-Propan-2-ylbenzenethiol|CS-0037685

Structure of 4946-14-9

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General Information

  • CAS No. 4946-14-9
  • Cat. No. CS-0037685
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂S
  • Molecular Weight 152.26
  • Synonym(s) 4-Isopropylthiophenol
  • SMILES CC(C)C1=CC=C(C=C1)S

Description

4-Isopropylbenzenethiol features a thiol group appended to a para-substituted aromatic ring bearing a sterically hindered isopropyl moiety. This configuration imparts enhanced stability and controlled reactivity, enabling reliable use in sulfur-transfer reactions and as a building block for functionalized thiophene derivatives under standard bench conditions.

Application

4-Isopropylbenzenethiol serves as a versatile building block in synthetic organic chemistry, enabling efficient access to sulfide and disulfide derivatives through standard coupling protocols. Its aromatic thiol functionality exhibits excellent bench stability and tolerates a range of reaction conditions, facilitating straightforward purification and functional group manipulation. This compound functions effectively in the construction of heterocyclic scaffolds and bioactive molecules where hydrophobic aryl-thioether motifs are required.

Synthesis

  • Route1
    • 4-Isopropylbenzenesulfonyl chloride|CS-0154277
      54997-90-9
    • ~77%
    • In-stock
      4-Propan-2-ylbenzenethiol|CS-0037685
      4946-14-9

    References

    • Bellale, Eknath V.; Chaudhari, Mahesh K.; Akamanchi, Krishnacharya G. Synthesis, 2009 , # 19 p. 3211 - 3213
  • Route2
    • null|null
      98-82-8
    • ~%
    • In-stock
      4-Propan-2-ylbenzenethiol|CS-0037685
      4946-14-9

    References

    • Schroth,W. et al. Zeitschrift fuer Chemie (Stuttgart, Germany), 1977 , vol. 17, p. 411 - 413
  • Route3
    • null|null
      65398-59-6
    • ~%
    • In-stock
      4-Propan-2-ylbenzenethiol|CS-0037685
      4946-14-9

    References

    • Schroth,W. et al. Zeitschrift fuer Chemie (Stuttgart, Germany), 1977 , vol. 17, p. 411 - 413

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 2922
Class : 8,6.1
Packing Group : Ⅱ
Hazard Statements : H301-H312-H314-H332
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.0987
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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